3-methylsulfonyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine

C10H18N4O4S — CID 116807488

IUPAC3-methylsulfonyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCS(=O)(=O)CCC(N)c1nc(N2CCOCC2)no1
InChIInChI=1S/C10H18N4O4S/c1-19(15,16)7-2-8(11)9-12-10(13-18-9)14-3-5-17-6-4-14/h8H,2-7,11H2,1H3
InChIKeySKBQWRZLWAQOGK-UHFFFAOYSA-N
MW290.34 g/mol
LogP-0.66
Rot. Bonds5

About 3-methylsulfonyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine

3-methylsulfonyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 116807488) has the molecular formula C10H18N4O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-methylsulfonyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-methylsulfonyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID116807488
Molecular FormulaC10H18N4O4S
Molecular Weight290.34 g/mol
Exact Mass290.10
IUPAC Name3-methylsulfonyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCS(=O)(=O)CCC(N)c1nc(N2CCOCC2)no1
InChIInChI=1S/C10H18N4O4S/c1-19(15,16)7-2-8(11)9-12-10(13-18-9)14-3-5-17-6-4-14/h8H,2-7,11H2,1H3
InChIKeySKBQWRZLWAQOGK-UHFFFAOYSA-N
XLogP-0.66
TPSA111.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 107145151
(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104915585
5-(1-amino-3-methylsulfonylpropyl)-1,2,4-oxadiazol-3-amine
CID 65418555
(1R)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 107565624
(1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 107565626
1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 116808953
4-[2-amino-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]phenol
CID 116807586
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-3-methylsulfonylpropan-1-amine
CID 65391282
(1S)-3-methylsulfanyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104909677
3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 116808961
(1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104915584
(1S)-3-methyl-1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104904377

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of 3-methylsulfonyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 116807488) is 3-methylsulfonyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-methylsulfonyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for 3-methylsulfonyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is CS(=O)(=O)CCC(N)c1nc(N2CCOCC2)no1.
What is the InChIKey of 3-methylsulfonyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is SKBQWRZLWAQOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S/c1-19(15,16)7-2-8(11)9-12-10(13-18-9)14-3-5-17-6-4-14/h8H,2-7,11H2,1H3.
What are the key properties of 3-methylsulfonyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
3-methylsulfonyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 290.34 g/mol, XLogP of -0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 116807488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).